Methyl N6-benzyloxycarbonyl-L-lysinate hydrochloride

HCID 119741

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Basic information

CAS: 27894-50-4
Standard SMILES: COC(=O)C(N)CCCCNC(=O)OCc1ccccc1.Cl
InChIKey: QPNJISLOYQGQTI-UHFFFAOYSA-N
Molecular formula: C15H23ClN2O4
Average molar mass: 330.81 g/mol

Names & identifiers

Preferred name: Methyl N6-benzyloxycarbonyl-L-lysinate hydrochloride
IUPAC: methyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
English name: H-Lys(Z)-OMe HCl
Molecular formula: C15H23ClN2O4
Molecular weight: 330.81

Names & synonyms

EINECS 248-715-9Methyl N6-benzyloxycarbonyl-L-lysinate hydrochlorideNSC 83263Methyl N6-benzyloxycarbonyl-L-lysinate HClRefChem:817982248-715-9H-D-Lys(Z)-OMe.HClmethyl N~6~-[(benzyloxy)carbonyl]lysinate hydrochlorideC15H23ClN2O4Methyl N6-[(benzyloxy)carbonyl]-D-lysinate hydrochlorideN6-Cbz-D-lysine methyl esterSCHEMBL3132219

Show more names

(S)-Methyl 2-aMino-6-(((benzyloxy)carbonyl)aMino)hexanoate hydrochlorideLys(Z)-OMe HClH-Lys(Z)-OMe.HCIL-Lys(Z)-OMe·HClH-Lys(Z)-OMe HClLYSINE(Z)-OME HCLH-L-Lys(Z)-OMe*HClL-Lys(cbz)-Ome.HclH-LYS(Z)-OME.HCL 99+%H-LYS(Z)-OME HYDROCHLORIDE

QPNJISLOYQGQTI-UHFFFAOYSA-NNSC83263methyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate;hydrochlorideNSC-83263AKOS015916418Ne-Z-L-lysine methyl ester hydrochloridemethyl 2-amino-6-(benzyloxycarbonylamino)hexanoate;hydrochloridemethyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate hydrochloride salt

Database identifiers

CAS: 27894-50-4
PubChem CID: 119741
EC Number: 248-715-9

Properties

Computed structural properties

Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 317

Physicochemical properties

Melting point: 115 · 115-118°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Powder
color: White to off-white
optical activity: 20 · [α]20/D +14.5±0.5°, c = 2% in H2O
BRN: 3578476 · 3578476
Major Application: peptide synthesis
InChI: 1S/C15H22N2O4.ClH/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19);1H/t13-;/m0./s1
InChIKey: QPNJISLOYQGQTI-ZOWNYOTGSA-N
SMILES: Cl.COC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1
CAS DataBase Reference: 27894 · 27894-50-4(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 2924297099 · 2924297099
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

UsesH-Lys(Z)-OMe Hydrochloride is a reagent in the development of human calcitonin gene-related peptide (CGRP) receptor antagonists for treatment of acute migraine.